Geometry & MOs

Info

ID:	41396
PubChem CID:	8145807
Reduced:	ClS2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	92.5
Dipole, Da:	5.98
IP(EA), eV:	-8.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(cyclopentylideneamino)-N-(2-phenylethyl)propanediamide

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CS4

DOS

IR

Vibrations